N-[(2-methylphenyl)carbamothioyl]propanamide

C11H14N2OS — CID 884642

IUPACN-[(2-methylphenyl)carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)Nc1ccccc1C
InChIInChI=1S/C11H14N2OS/c1-3-10(14)13-11(15)12-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyMLLZGWBRPIZBEH-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.22
Rot. Bonds2

About N-[(2-methylphenyl)carbamothioyl]propanamide

N-[(2-methylphenyl)carbamothioyl]propanamide (PubChem CID 884642) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(2-methylphenyl)carbamothioyl]propanamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)carbamothioyl]propanamide
PubChem CID884642
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-[(2-methylphenyl)carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)Nc1ccccc1C
InChIInChI=1S/C11H14N2OS/c1-3-10(14)13-11(15)12-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyMLLZGWBRPIZBEH-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)carbamothioyl]acetamide
CID 2791906
N-[(2,4-dimethylphenyl)carbamothioyl]propanamide
CID 3777928
N-[(2-methylphenyl)carbamothioyl]-2-[4-[2-[(2-methylphenyl)carbamothioylamino]-2-oxoethoxy]phenoxy]acetamide
CID 3644357
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
2-methyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 46760826
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
N-[(2-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 786683
N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide
CID 8628429
2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide
CID 56694544
N-[3-(acetylcarbamothioylamino)-2-methylphenyl]propanamide
CID 46760838
N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 797213
2-chloro-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]acetamide
CID 3249417

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)carbamothioyl]propanamide?
The IUPAC name of N-[(2-methylphenyl)carbamothioyl]propanamide (CID 884642) is N-[(2-methylphenyl)carbamothioyl]propanamide.
What is the SMILES notation for N-[(2-methylphenyl)carbamothioyl]propanamide?
The canonical SMILES for N-[(2-methylphenyl)carbamothioyl]propanamide is CCC(=O)NC(=S)Nc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)carbamothioyl]propanamide?
The InChIKey is MLLZGWBRPIZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-10(14)13-11(15)12-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of N-[(2-methylphenyl)carbamothioyl]propanamide?
N-[(2-methylphenyl)carbamothioyl]propanamide has a molecular weight of 222.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)carbamothioyl]propanamide is sourced from PubChem (CID 884642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).